REMARK  Name = BDB018759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.086   0.452  -0.275  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.028  -0.094   0.464  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        0.272   0.402   0.307  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        1.408  -0.104   1.155  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1        2.752   0.000   0.424  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1        3.918  -0.359   1.359  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1        4.862  -1.200   0.560  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1        4.378  -1.238  -0.839  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1        2.910   1.411  -0.148  0.00  0.00    +0.225 C 
ATOM     10  N   LIG    1        1.795   1.964  -0.725  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1        1.943   2.832  -1.225  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1        3.984   2.006  -0.205  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        2.877  -1.028  -0.711  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1        0.503   1.453  -0.585  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -0.545   2.014  -1.312  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -1.838   1.507  -1.162  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1       -3.195  -2.585  -0.821  0.00  0.00    +0.068 C 
ATOM     18  C   LIG    1       -3.928  -1.388  -0.337  0.00  0.00    +0.068 A 
ATOM     19  C   LIG    1       -3.425  -0.077  -0.118  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1       -4.513   0.650   0.329  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1       -4.675   2.061   0.752  0.00  0.00    +0.065 C 
ATOM     22  N   LIG    1       -5.560  -0.230   0.339  0.00  0.00    -0.281 N 
ATOM     23  H   LIG    1       -6.522  -0.054   0.609  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1       -5.233  -1.470  -0.052  0.00  0.00    -0.178 NA
ENDBRANCH   1  19
BRANCH   7  25
ATOM     25  C   LIG    1        6.139  -1.408   0.907  0.00  0.00    +0.169 C 
ATOM     26  N   LIG    1        7.240  -1.595   1.210  0.00  0.00    -0.174 NA
ENDBRANCH   7  25
TORSDOF 2